==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=23-AUG-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSCRIPTION 19-MAY-13 2M8G . COMPND 2 MOLECULE: TRANSCRIPTIONAL REGULATOR; . SOURCE 2 ORGANISM_SCIENTIFIC: AQUIFEX AEOLICUS; . AUTHOR E.HONG,D.WEMMER . 70 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6824.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 37 52.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 2 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 45.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 4.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 0 1 0 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 428 X T 0 0 156 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 100.0 -30.7 31.0 -11.7 2 429 X S + 0 0 133 2,-0.0 2,-0.2 0, 0.0 0, 0.0 0.870 360.0 74.9 -64.1 -37.4 -31.0 34.8 -11.7 3 430 X S - 0 0 67 1,-0.1 2,-0.0 2,-0.0 0, 0.0 -0.529 59.3-171.7 -79.4 143.4 -27.9 35.1 -9.6 4 431 X E + 0 0 174 -2,-0.2 -1,-0.1 0, 0.0 -2,-0.0 -0.475 29.2 142.8-134.1 62.9 -24.5 34.5 -11.1 5 432 X L - 0 0 131 1,-0.1 -2,-0.0 -2,-0.0 0, 0.0 -0.697 55.6-127.1-103.9 156.7 -22.0 34.4 -8.3 6 433 X P - 0 0 114 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.790 29.6-150.3 -69.8 -29.0 -18.9 32.2 -7.8 7 434 X E > + 0 0 102 1,-0.1 4,-1.3 3,-0.1 -2,-0.0 0.894 40.0 152.3 57.7 41.7 -20.0 31.1 -4.4 8 435 X L T 4 S+ 0 0 140 2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.900 73.8 40.9 -68.1 -41.9 -16.4 30.7 -3.3 9 436 X L T 4 S+ 0 0 163 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.878 112.4 54.6 -73.7 -39.1 -17.2 31.3 0.3 10 437 X R T 4 S+ 0 0 196 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.794 87.4 101.9 -64.7 -28.4 -20.4 29.3 0.2 11 438 X K < - 0 0 142 -4,-1.3 2,-0.6 1,-0.1 -4,-0.0 -0.359 62.4-155.0 -60.6 131.0 -18.4 26.3 -1.1 12 439 X R - 0 0 217 -2,-0.1 -1,-0.1 2,-0.0 -2,-0.1 -0.941 9.8-135.5-116.0 115.7 -17.6 23.8 1.6 13 440 X E - 0 0 151 -2,-0.6 2,-0.5 1,-0.1 3,-0.2 -0.208 8.9-137.0 -63.6 156.5 -14.6 21.5 1.3 14 441 X R + 0 0 222 1,-0.2 -1,-0.1 3,-0.0 -2,-0.0 -0.680 36.3 157.8-119.2 76.5 -14.9 17.8 2.0 15 442 X K + 0 0 191 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.0 0.938 52.5 87.8 -62.8 -48.6 -11.8 16.9 4.0 16 443 X T + 0 0 119 -3,-0.2 2,-0.1 2,-0.0 0, 0.0 -0.207 61.3 85.4 -53.7 139.3 -13.5 13.8 5.5 17 444 X G - 0 0 69 2,-0.0 2,-0.4 0, 0.0 -3,-0.0 -0.012 58.7-134.5 130.7 124.2 -13.1 10.7 3.3 18 445 X D - 0 0 134 -2,-0.1 3,-0.0 4,-0.0 -2,-0.0 -0.863 22.6-174.7-107.4 138.1 -10.5 8.0 2.9 19 446 X L > - 0 0 104 -2,-0.4 4,-1.0 1,-0.1 3,-0.1 -0.880 33.8-124.2-128.6 160.7 -9.2 6.7 -0.5 20 447 X P H > S+ 0 0 86 0, 0.0 4,-2.8 0, 0.0 5,-0.3 0.866 106.5 65.0 -69.8 -37.9 -6.9 4.0 -1.8 21 448 X K H > S+ 0 0 145 1,-0.2 4,-2.0 2,-0.2 5,-0.2 0.894 101.3 50.8 -52.3 -43.8 -4.7 6.4 -3.7 22 449 X F H > S+ 0 0 147 2,-0.2 4,-3.2 1,-0.2 5,-0.3 0.897 110.9 48.7 -62.2 -41.7 -3.7 8.0 -0.5 23 450 X I H X S+ 0 0 79 -4,-1.0 4,-2.8 2,-0.2 5,-0.3 0.953 113.8 44.0 -63.6 -51.9 -2.8 4.6 1.0 24 451 X E H X S+ 0 0 93 -4,-2.8 4,-2.0 1,-0.2 -1,-0.2 0.811 117.5 48.5 -63.3 -30.2 -0.7 3.5 -1.9 25 452 X E H X S+ 0 0 96 -4,-2.0 4,-2.2 -5,-0.3 -2,-0.2 0.926 115.5 40.9 -75.7 -47.4 0.9 6.9 -2.1 26 453 X T H X S+ 0 0 71 -4,-3.2 4,-1.3 2,-0.2 -2,-0.2 0.832 119.3 47.6 -69.8 -32.9 1.7 7.1 1.6 27 454 X E H X S+ 0 0 27 -4,-2.8 4,-2.4 -5,-0.3 -2,-0.2 0.940 114.8 43.2 -73.2 -49.8 2.8 3.5 1.7 28 455 X K H X S+ 0 0 71 -4,-2.0 4,-2.8 -5,-0.3 5,-0.3 0.908 114.0 51.6 -62.5 -43.3 5.0 3.7 -1.4 29 456 X K H X S+ 0 0 111 -4,-2.2 4,-2.0 1,-0.2 -1,-0.2 0.871 110.8 49.1 -61.8 -37.8 6.5 7.0 -0.4 30 457 X R H X S+ 0 0 125 -4,-1.3 4,-2.8 2,-0.2 5,-0.2 0.931 112.9 45.9 -67.9 -47.3 7.4 5.5 3.0 31 458 X I H X S+ 0 0 0 -4,-2.4 4,-2.5 2,-0.2 -2,-0.2 0.954 117.2 42.9 -60.7 -52.6 9.0 2.4 1.6 32 459 X I H X S+ 0 0 42 -4,-2.8 4,-2.5 1,-0.2 5,-0.2 0.863 114.2 53.3 -62.3 -36.8 11.0 4.3 -1.0 33 460 X E H X S+ 0 0 96 -4,-2.0 4,-2.3 -5,-0.3 -2,-0.2 0.951 111.1 43.9 -63.7 -51.2 11.9 6.9 1.6 34 461 X A H X S+ 0 0 6 -4,-2.8 4,-1.7 2,-0.2 -2,-0.2 0.918 114.2 51.0 -60.4 -45.6 13.2 4.4 4.1 35 462 X L H >X>S+ 0 0 1 -4,-2.5 5,-2.7 -5,-0.2 4,-1.1 0.957 111.7 45.6 -57.2 -54.6 15.1 2.5 1.4 36 463 X E H 3<5S+ 0 0 90 -4,-2.5 3,-0.4 1,-0.3 -1,-0.2 0.881 114.6 49.2 -57.1 -40.0 16.8 5.6 0.0 37 464 X K H 3<5S+ 0 0 147 -4,-2.3 -1,-0.3 1,-0.2 -2,-0.2 0.753 113.6 47.0 -71.5 -24.3 17.6 6.7 3.6 38 465 X T H <<5S- 0 0 18 -4,-1.7 -1,-0.2 -3,-0.5 -2,-0.2 0.533 126.1-100.4 -93.0 -9.1 19.0 3.3 4.3 39 466 X G T <5S- 0 0 38 -4,-1.1 -3,-0.2 -3,-0.4 -2,-0.1 0.842 74.3 -53.1 92.4 39.6 21.0 3.2 1.1 40 467 X Y S - 0 0 23 -6,-0.6 4,-2.8 -7,-0.1 -1,-0.2 -0.975 39.8-164.9-126.5 121.1 18.6 -1.8 1.4 42 469 X K H > S+ 0 0 50 -2,-0.5 4,-2.7 2,-0.2 5,-0.2 0.934 93.1 51.8 -65.8 -47.8 15.5 -3.9 1.9 43 470 X S H > S+ 0 0 82 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.941 117.6 38.0 -54.4 -52.3 16.7 -5.3 5.2 44 471 X R H > S+ 0 0 124 2,-0.2 4,-2.9 1,-0.2 5,-0.3 0.943 115.7 52.3 -65.6 -49.4 17.4 -1.9 6.7 45 472 X A H X S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 6,-0.2 0.846 113.0 47.3 -55.7 -35.5 14.3 -0.3 5.1 46 473 X A H X>S+ 0 0 5 -4,-2.7 4,-3.2 2,-0.2 5,-2.2 0.954 114.0 43.6 -71.7 -52.3 12.2 -3.1 6.6 47 474 X K H <5S+ 0 0 155 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.825 117.3 49.3 -62.7 -31.9 13.7 -2.9 10.1 48 475 X L H <5S+ 0 0 109 -4,-2.9 -2,-0.2 -5,-0.2 -1,-0.2 0.943 116.0 39.5 -72.7 -50.1 13.5 0.9 9.9 49 476 X L H <5S- 0 0 35 -4,-2.3 -2,-0.2 -5,-0.3 -3,-0.2 0.901 116.6-111.0 -66.8 -41.9 9.9 1.1 8.7 50 477 X G T <5S+ 0 0 59 -4,-3.2 2,-0.3 1,-0.4 -3,-0.2 0.591 76.1 114.9 117.5 20.5 8.8 -1.7 11.0 51 478 X Y < - 0 0 71 -5,-2.2 -1,-0.4 -6,-0.2 2,-0.1 -0.800 61.2-112.3-119.0 161.4 8.0 -4.5 8.5 52 479 X T > - 0 0 83 -2,-0.3 4,-3.0 1,-0.1 5,-0.3 -0.431 36.8 -99.8 -88.3 165.0 9.6 -7.9 7.8 53 480 X L H > S+ 0 0 110 1,-0.2 4,-2.3 2,-0.2 5,-0.2 0.849 125.7 51.7 -50.5 -37.0 11.5 -9.0 4.7 54 481 X R H > S+ 0 0 194 2,-0.2 4,-2.3 3,-0.2 -1,-0.2 0.951 113.2 41.9 -66.3 -51.1 8.3 -10.6 3.5 55 482 X Q H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 -2,-0.2 0.963 117.6 46.2 -61.0 -54.8 6.1 -7.5 4.0 56 483 X L H X S+ 0 0 0 -4,-3.0 4,-2.4 1,-0.2 3,-0.4 0.939 113.0 50.0 -53.7 -52.2 8.7 -5.1 2.6 57 484 X D H X S+ 0 0 56 -4,-2.3 4,-2.3 -5,-0.3 5,-0.3 0.909 108.2 53.4 -53.9 -46.0 9.4 -7.3 -0.4 58 485 X Y H X S+ 0 0 115 -4,-2.3 4,-2.0 1,-0.2 -1,-0.3 0.853 110.2 48.2 -58.8 -35.7 5.7 -7.6 -1.1 59 486 X R H X S+ 0 0 65 -4,-1.9 4,-3.2 -3,-0.4 6,-0.2 0.874 108.8 52.9 -72.9 -38.6 5.4 -3.8 -1.1 60 487 X I H <>S+ 0 0 13 -4,-2.4 5,-1.6 2,-0.2 4,-0.3 0.891 114.3 42.0 -63.9 -40.6 8.4 -3.4 -3.4 61 488 X K H <5S+ 0 0 113 -4,-2.3 -2,-0.2 3,-0.2 -1,-0.2 0.882 117.8 46.3 -73.8 -39.9 6.9 -5.8 -6.0 62 489 X K H <5S+ 0 0 117 -4,-2.0 -2,-0.2 -5,-0.3 -3,-0.2 0.919 122.7 34.8 -68.4 -45.1 3.4 -4.3 -5.6 63 490 X Y T <5S- 0 0 66 -4,-3.2 -1,-0.2 -5,-0.1 -2,-0.2 0.472 103.7-133.6 -87.7 -3.1 4.6 -0.7 -5.8 64 491 X G T 5 + 0 0 53 -4,-0.3 -3,-0.2 -5,-0.2 -4,-0.1 0.889 39.7 178.6 51.3 43.9 7.3 -1.8 -8.3 65 492 X I < - 0 0 17 -5,-1.6 2,-0.2 -6,-0.2 -1,-0.1 -0.413 19.7-131.2 -76.8 153.3 9.9 0.3 -6.3 66 493 X E + 0 0 163 -2,-0.1 2,-0.2 2,-0.0 -1,-0.1 -0.577 25.4 173.2-101.6 166.2 13.5 0.4 -7.4 67 494 X L - 0 0 59 -2,-0.2 2,-0.9 2,-0.1 -27,-0.1 -0.843 29.8-130.9-173.5 134.1 16.7 -0.1 -5.4 68 495 X K + 0 0 146 -2,-0.2 2,-0.3 2,-0.0 -2,-0.0 -0.795 56.0 121.7 -95.0 102.9 20.4 -0.4 -6.0 69 496 X K 0 0 130 -2,-0.9 -2,-0.1 -28,-0.0 -29,-0.0 -0.923 360.0 360.0-163.0 134.5 21.8 -3.5 -4.2 70 497 X F 0 0 233 -2,-0.3 -1,-0.0 0, 0.0 -2,-0.0 0.267 360.0 360.0-100.8 360.0 23.6 -6.7 -5.2